4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one

C10H13FN4O — CID 121020662

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
SMILESCCc1ncnc(N2CCNC(=O)C2)c1F
InChIInChI=1S/C10H13FN4O/c1-2-7-9(11)10(14-6-13-7)15-4-3-12-8(16)5-15/h6H,2-5H2,1H3,(H,12,16)
InChIKeySAVNILMQPYTPEM-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.11
Rot. Bonds2

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one

4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one (PubChem CID 121020662) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
PubChem CID121020662
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
SMILESCCc1ncnc(N2CCNC(=O)C2)c1F
InChIInChI=1S/C10H13FN4O/c1-2-7-9(11)10(14-6-13-7)15-4-3-12-8(16)5-15/h6H,2-5H2,1H3,(H,12,16)
InChIKeySAVNILMQPYTPEM-UHFFFAOYSA-N
XLogP0.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one (CID 121020662) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one is CCc1ncnc(N2CCNC(=O)C2)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one?
The InChIKey is SAVNILMQPYTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-2-7-9(11)10(14-6-13-7)15-4-3-12-8(16)5-15/h6H,2-5H2,1H3,(H,12,16).
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one?
4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one has a molecular weight of 224.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 121020662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).